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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1,2-Benzenedicarboxylic acid, 3-nitro-, 1-methyl ester

COC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-] Request for Quotation
Chemical Name: 1,2-Benzenedicarboxylic acid, 3-nitro-, 1-methyl ester
CAS Number: 21606-04-2
Product Number: AG003JSI(AGN-PC-05VCO0)
Synonyms:
MDL No:
Molecular Formula: C9H7NO6
Molecular Weight: 225.1550

Identification/Properties

Properties
MP:
160.0 to 164.0 °C
BP:
409.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
225.156g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
225.027g/mol
Monoisotopic Mass:
225.027g/mol
Topological Polar Surface Area:
109A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
310
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


1,2-Benzenedicarboxylic acid, 3-nitro-, 1-methyl ester is a versatile compound that finds wide application in chemical synthesis. It serves as a key building block for the preparation of various organic compounds due to its unique chemical reactivity. In organic synthesis, this compound can be used as a precursor in the formation of complex molecules such as pharmaceuticals, agrochemicals, and polymers.Due to the presence of the nitro group, 1,2-Benzenedicarboxylic acid, 3-nitro-, 1-methyl ester can undergo a range of chemical transformations including reduction, substitution, and functional group interconversion. These reactions allow for the modification of its chemical structure to generate a diverse array of products with tailored properties and functionalities.Additionally, this compound can be employed in the synthesis of coordination complexes and metal-organic frameworks. Its ability to chelate with metal ions enables the formation of stable coordination compounds that have potential applications in catalysis, material science, and nanotechnology.Overall, the versatility and reactivity of 1,2-Benzenedicarboxylic acid, 3-nitro-, 1-methyl ester make it a valuable component in the toolbox of synthetic chemists for the development of novel compounds with useful applications across various industries.